Detailed information for compound 594215

Basic information

Technical information
  • TDR Targets ID: 594215
  • Name: 10H-[1,3,5]triazino[6,1-b]benzimidazole-2,4-d ione
  • MW: 202.17 | Formula: C9H6N4O2
  • H donors: 2 H acceptors: 2 LogP: 0.28 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1nc2[nH]c3c(n2c(=O)[nH]1)cccc3
  • InChi: 1S/C9H6N4O2/c14-8-11-7-10-5-3-1-2-4-6(5)13(7)9(15)12-8/h1-4H,(H2,10,11,12,14,15)
  • InChiKey: DIQZMLDKTDQLED-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 10H-[1,3,5]triazino[6,1-b]benzimidazole-2,4-quinone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.0782 0.0782
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.1386 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0658 0.0658
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.1386 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.2051 0.8837
Plasmodium vivax glutathione reductase, putative 0.0051 0.0693 0.4999
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.0775 0.0775
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0951 0.4027
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.0775 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.0693 0.0475
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0693 0.4999
Echinococcus multilocularis neuropeptide s receptor 0.0497 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.2051 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0693 0.2985
Echinococcus granulosus lysine specific demethylase 5A 0.0063 0.0951 0.0951
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.1386 0.4599
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.2321 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.2051 0.8837
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.0951 0.0951
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0775 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.1386 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.1386 0.1386
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0693 0.0693
Trypanosoma brucei trypanothione reductase 0.0051 0.0693 0.8938
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.0775 0.0775
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0658 0.4749
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.0775 0.1606
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.0775 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.1386 1
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.0775 0.0775
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0775 1
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.0782 0.0782
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0237 0.1708
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.1386 0.5514
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.1386 1
Brugia malayi glutathione reductase 0.0051 0.0693 0.4999
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.0951 0.0951
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0237 0.1708
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.1386 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.0782 0.2616
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.1386 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.1386 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0116 0.2051 0.8705
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.1386 1
Leishmania major trypanothione reductase 0.0051 0.0693 0.8938
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.2321 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.2051 0.8837
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0775 0.2572
Echinococcus granulosus neuropeptide receptor A26 0.0497 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.0775 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.0775 1
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0693 0.0475
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.2321 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.0775 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0658 0.2184
Toxoplasma gondii hypothetical protein 0.0029 0.0237 0.1708
Toxoplasma gondii thioredoxin reductase 0.0051 0.0693 0.4999
Brugia malayi jmjC domain containing protein 0.0063 0.0951 0.6864
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0775 1
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0951 0.3157
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0658 0.0658
Echinococcus multilocularis neuropeptide receptor A26 0.0497 1 1
Trypanosoma brucei protein kinase, putative 0.0055 0.0775 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0951 0.3157
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.0782 0.3369
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.1386 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.0951 0.0951
Brugia malayi jmjC domain containing protein 0.0063 0.0951 0.6864
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0693 0.8938
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.1386 0.1386
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0658 0.2184
Brugia malayi MAP kinase sur-1 0.0055 0.0775 0.5592
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.1386 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0237 0.1708
Mycobacterium tuberculosis Probable reductase 0.0116 0.2051 0.8837
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.0775 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.0775 0.5592
Plasmodium falciparum thioredoxin reductase 0.0051 0.0693 0.4999
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0775 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0693 0.0693
Plasmodium falciparum glutathione reductase 0.0051 0.0693 0.4999
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.0782 0.3369
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0658 0.2184
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0658 0.0658
Brugia malayi Thioredoxin reductase 0.0051 0.0693 0.4999
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0775 1
Brugia malayi Probable ClpP-like protease 0.0084 0.1386 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.0775 0.0775
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0951 0.3157
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0658 0.0658
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.2051 0.8837
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0775 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.2321 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 2.18 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 3.41 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 3.69 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 6 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 21 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 95 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 0 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -1 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 6 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 21 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 95 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.76 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.17448 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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